Computational Identification of High-Efficiency Dual-Metal-Atom-Modified Ti-Metal–Organic Frameworks for Photocatalytic CO2 Reduction to Value-Added Chemicals
Release Time:2025-05-20 Hits:
Date of Publication: 2024-12-24
Journal: CCS Chemistry
ISSN: 2096-5745
Key Words: computational screening; CO<sub>2</sub> photoreduction; density functional theory; dual-metal-atom-modified Ti-MOFs; structure-activity relationship; value-added chemicals